CID 3015713

3-(1h-imidazol-1-yl)propane-1,2-diol

Structural Information

Molecular Formula

C₆H₁₀N₂O₂

SMILES

C1=CN(C=N1)CC(CO)O

InChI

InChI=1S/C6H10N2O2/c9-4-6(10)3-8-2-1-7-5-8/h1-2,5-6,9-10H,3-4H2

InChIKey

RHLDLEHHTWLRFG-UHFFFAOYSA-N

Compound name

3-imidazol-1-ylpropane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 142.07423 Da
Monoisotopic Mass: -1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	143.081506	128.9
[M+Na]+	165.063448	136.2
[M-H]-	141.066954	127.1
[M+NH4]+	160.108053	148.0
[M+K]+	181.037388	134.9
[M+H-H2O]+	125.071490	122.2
[M+HCOO]-	187.072431	149.0
[M+CH3COO]-	201.088081	167.4
[M+Na-2H]-	163.048896	134.0
[M]+	142.07368142	127.8
[M]-	142.07477858	127.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe